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canSAR1156893
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NAMES
    SMILES
    CC(C)c1csc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3)n2-c2ccccc2)n1
    InChI
    InChI=1S/C23H22N6O2S2/c1-15(2)19-13-32-22(25-19)21-27-28-23(29(21)17-6-4-3-5-7-17)33-14-20(31)26-24-12-16-8-10-18(30)11-9-16/h3-13,15,30H,14H2,1-2H3,(H,26,31)/b24-12+
    MOLECULAR FORMULA
    C23H22N6O2S2
    CROSS REFERENCES
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    canSAR1156893

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.12
    AlogP 4.46
    HBond donors 2
    HBond acceptors 8
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1156893.